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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-1147601
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 7
Number of elements: 4
Element list: ['Cu', 'Pb', 'S', 'Cl']
Chemical System: Cl-Cu-Pb-S
Density: 6.204749284247896
Atomic Density: 0.042670276628374165
Unit Cell Volume: 164.0486200960145
Molar Volume: 14.113198310028057
Full Formula: Cu1 Pb2 S2 Cl2
Reduced Formula: CuPb2(SCl)2
Formula Anonymous: AB2C2D2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -28.83976923
Final energy per atom: -4.119967032857143
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.